Information card for entry 7228180

Structure parameters

• Formula: C22 H18 Ca2 N6 O10
• Calculated formula: C22 H18 Ca2 N6 O10
• Title of publication: A series of alkaline earth metal coordination polymers constructed from two newly designed imidazole-based dicarboxylate ligands containing pyridinylmethyl group
• Authors of publication: Cai, Songliang; He, Zi-Hao; Wu, Wan-Hua; Liu, Fang-Xiu; Huang, Xiao-Ling; Zheng, Shengrun; Fan, Jun; Zhang, Wei-Guang
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 14.991 ± 0.005 Å
• b: 6.826 ± 0.003 Å
• c: 25.261 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2584.9 ± 1.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1605
• Residual factor for significantly intense reflections: 0.1244
• Weighted residual factors for significantly intense reflections: 0.2848
• Weighted residual factors for all reflections included in the refinement: 0.3064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No